SCHEMBL3597777

SCHEMBL3597777

Cc1cc(C=CC(F)(F)F)ccc1C(=O)Nc1ccc2ccc(O)nc2n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 14/20 0.39
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
MTOR P42345 1/20 0.34
GAA P10253 1/20 0.33
GRM5 P41594 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3597773 1.00 SORT1 (0.39) SORT1NPC1RAB9AALDH1A1MAPK1
SCHEMBL13544293 0.91 SORT1 (0.42) SORT1NPC1RAB9AALDH1A1MAPK1
SCHEMBL3594624 0.86 SORT1 (0.38) SORT1NPC1RAB9AALDH1A1MAPK1
SCHEMBL3594618 0.86 SORT1 (0.38) SORT1NPC1RAB9AALDH1A1MAPK1
SCHEMBL3593614 0.73 NPC1 (0.60) NPC1RAB9A
SCHEMBL3593609 0.73 NPC1 (0.60) NPC1RAB9A
SCHEMBL13544067 0.72 MTOR (0.39) NPC1RAB9AALDH1A1MAPK1MTOR
SCHEMBL3588775 0.72 KDR (0.56) NPC1RAB9AALDH1A1
SCHEMBL3588779 0.72 KDR (0.56) NPC1RAB9AALDH1A1
SCHEMBL3594481 0.72 TRPV1 (0.49) NPC1RAB9AALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 SORT1 4494/4885NPC1 879/4885RAB9A 2452/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.